1-tert-butyl-5-chloranyl-N-[(1S,3S)-5-(methylsulfonylamino)-2-adamantyl]pyrazole-4-carboxamide

Systemtic Name: 1-tert-butyl-5-chloranyl-N-[(1S,3S)-5-(methylsulfonylamino)-2-adamantyl]pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-5-chloro-N-[(1S,3S)-5-(methanesulfonamido)-2-adamantyl]pyrazole-4-carboxamide CAS Name: 1-tert-butyl-5-chloro-N-[(1S,3S)-5-(methanesulfonamido)-2-adamantyl]-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-5-chloro-N-[(1S,3S)-5-(methanesulfonamido)-2-adamantyl]pyrazole-4-carboxamide Traditional Name: 1-tert-butyl-5-chloro-N-[(1S,3S)-5-(methanesulfonamido)-2-adamantyl]pyrazole-4-carboxamide Formula: C19H29ClN4O3S MolecularWeight: 428.97656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)NS(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)NC2[C@H]3CC4C[C@H]2CC(C3)(C4)NS(=O)(=O)C)Cl

InChI

InChI=1S/C19H29ClN4O3S/c1-18(2,3)24-16(20)14(10-21-24)17(25)22-15-12-5-11-6-13(15)9-19(7-11,8-12)23-28(4,26)27/h10-13,15,23H,5-9H2,1-4H3,(H,22,25)/t11?,12-,13-,15?,19?/m0/s1